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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Jan-2026	/FG_dataset/group2/pd/111 pd-3401-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-283.53412058; eV
	4-Aug-2022	/Sampling pris-4O-surfvac-2ce3-pos_29_30-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-843.68431879; eV
	4-Aug-2022	/Sampling pris-4O-surfvac-2ce3-pos_29_34-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-843.23176243; eV
	4-Aug-2022	/Sampling pris-4O-bulkvac-2ce3-pos_34_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-842.20199678; eV
	4-Aug-2022	/Sampling pris-4O-bulkvac-2ce3-pos_32_36-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-842.47107163; eV
	4-Aug-2022	/Sampling pris-4O-surfvac-2ce3-pos_28_35-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-843.04599191; eV
	4-Aug-2022	/Sampling pris-4O-bulkvac-2ce3-pos_30_35-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 02 2020 11:25:42) gamma-only	Geometry optimization	DFT	-	-841.94330442; eV
	4-Aug-2022	/Sampling pris-4O-surfvac-2ce3-pos_29_31-k3x3	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-843.36122060; eV
	4-Aug-2022	/Sampling pris-4O-nondefect-gamma	Geiger, Julian	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-850.45051013; eV
	16-Jan-2026	/FG_dataset/amidines/ni/111 ni-4aZi-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-341.68136766; eV

Results 62361-62370 of 104445 (Search time: 0.04 seconds).